7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C12H16N2O — CID 82190756

IUPAC7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNCCc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C12H16N2O/c13-7-6-9-4-5-11-10(8-9)2-1-3-12(15)14-11/h4-5,8H,1-3,6-7,13H2,(H,14,15)
InChIKeyIFKBVUCLORXNFY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.46
Rot. Bonds2

About 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 82190756) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID82190756
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNCCc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C12H16N2O/c13-7-6-9-4-5-11-10(8-9)2-1-3-12(15)14-11/h4-5,8H,1-3,6-7,13H2,(H,14,15)
InChIKeyIFKBVUCLORXNFY-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
6-[2-[1-aminopropan-2-yl(methyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 117040127
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 82190756) is 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is NCCc1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is IFKBVUCLORXNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-7-6-9-4-5-11-10(8-9)2-1-3-12(15)14-11/h4-5,8H,1-3,6-7,13H2,(H,14,15).
What are the key properties of 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 82190756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).